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Benzene, 1-methyl-3-(1-methylethyl)-

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Condensed phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-18.80 ± 0.27kcal/molCcbGood, 1973 
Deltafliquid-18.69 ± 0.51kcal/molCcbProsen, Johnson, et al., 1946 
Quantity Value Units Method Reference Comment
Deltacliquid-1399.93 ± 0.24kcal/molCcbGood, 1973Corresponding «DELTA»fliquid = -18.79 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-1400.05 ± 0.53kcal/molCcbProsen, Johnson, et al., 1946Corresponding «DELTA»fliquid = -18.67 kcal/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil448. ± 2.KAVGN/AAverage of 17 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus209.38KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.02 K; TRC
Tfus209.39KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.02 K; TRC
Tfus209.4KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.01 K; TRC
Tfus209.26KN/ABirch, Dean, et al., 1949Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltavap12.0kcal/molN/AReid, 1972AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
10.7366.AStephenson and Malanowski, 1987Based on data from 351. - 450. K. See also McDonald, Shrader, et al., 1959 and Boublik, Fried, et al., 1984.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference
289.77 - 448.064.438221784.78-45.917McDonald, Shrader, et al., 1959

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Benzene, 1-methyl-3-(1-methylethyl)- + Benzene = Toluene + Benzene, (1-methylethyl)-

By formula: C10H14 + C6H6 = C7H8 + C9H12

Quantity Value Units Method Reference Comment
Deltar0.0 ± 0.1kcal/molEqkTsvetkov, Rozhnov, et al., 1985liquid phase

o-Cymene = Benzene, 1-methyl-3-(1-methylethyl)-

By formula: C10H14 = C10H14

Quantity Value Units Method Reference Comment
Deltar-2.10 ± 0.45kcal/molEqkTsvetkov, Rozhnov, et al., 1985gas phase

p-Cymene = Benzene, 1-methyl-3-(1-methylethyl)-

By formula: C10H14 = C10H14

Quantity Value Units Method Reference Comment
Deltar0.0 ± 0.15kcal/molEqkTsvetkov, Rozhnov, et al., 1985liquid phase

IR Spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-IW-3007
NIST MS number 232296

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Kusakov, et al., 1963
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 20025
Instrument unknown
Boiling point 175.1

Gas Chromatography

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-160.1000.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.999.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-101100.1010.Dimov and Mekenyan, 1989Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101100.1013.Matisová, Kovacicová, et al., 1989He; Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101100.1013.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillaryOV-101100.1013.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillarySqualane70.999.Udarov, Manukov, et al., 1987N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySE-3070.1006.6Tóth, 1983N2; Column length: 15. m; Column diameter: 0.25 mm
CapillaryOV-101100.1012.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillaryOV-101120.1018.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillaryOV-101140.1024.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillarySqualane86.1000.3Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.1001.8Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101100.1011.9Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101120.1018.5Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101140.1024.3Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
PackedSqualane100.1004.Nabivach and Kirilenko, 1980He, Chromaton N-AW-HMDS; Column length: 1. m
CapillarySqualane86.1000.3Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.1001.8Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.1010.Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillarySqualane80.997.41Soják and Rijks, 1976H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySE-3065.998.1Svob and Deur-Siftar, 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySqualane100.1002.4Svob and Deur-Siftar, 1974He; Column length: 10.5 m; Column diameter: 0.25 mm
CapillarySqualane92.1002.Krupcík, Liska, et al., 1970N2; Column length: 45. m; Column diameter: 0.2 mm
CapillarySqualane115.1006.4Krupcík, Liska, et al., 1970N2; Column length: 200. m; Column diameter: 0.2 mm

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCP Sil 5 CB1013.Ogunwande, Olawore, et al., 200325. m/0.25 mm/0.15 «mu»m, H2, 3. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-51030.Buchin, Salmon, et al., 200260. m/0.32 mm/1. «mu»m, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min
CapillaryDB-51030.Buchin, Salmon, et al., 200260. m/0.32 mm/1. «mu»m, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min
CapillaryBP-11037.Jain, Srivastava, et al., 200125. m/0.55 mm/0.25 «mu»m, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C
CapillaryDB-51025.6Wang, Fingas, et al., 199430. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 6. K/min; Tend: 300. C
CapillaryOV-1011007.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 «mu»m, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L1024.Louis, 1971N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryBP-11037.Raina, Srivastava, et al., 200325. m/0.32 mm/0.25 «mu»m, N2; Program: 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min)
CapillarySqualane1006.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified
CapillarySqualane1009.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M70.1266.5Tóth, 1983N2; Column length: 30. m; Column diameter: 0.3 mm
CapillaryCarbowax 20M100.1260.4Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillaryCarbowax 20M90.1244.3Döring, Estel, et al., 1974Column length: 100. m; Column diameter: 0.2 mm

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1270.Randriamiharisoa and Gaydou, 1987He, 2. K/min; Column length: 50. m; Column diameter: 0.3 mm; Tstart: 70. C; Tend: 210. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySPB-51029.Engel and Ratel, 200760. m/0.32 mm/1. «mu»m, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
CapillaryDB-51033.Methven L., Tsoukka M., et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 2. min, 4. K/min, 260. C @ 10. min
Capillary5 % Phenyl methyl siloxane1026.Djarri, Medjroubi, et al., 200625. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 280. C @ 20. min; Tstart: 60. C
CapillaryHP-5MS1023.Kallio, Jussila, et al., 200620. m/0.25 mm/0.25 «mu»m, 60. C @ 4. min, 5. K/min, 240. C @ 15. min
CapillaryHP-51033.Zhao J.Y., Liu J.M., et al., 200630. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
CapillaryCP Sil 5 CB1013.Ziegenbein, Hanssen, et al., 200625. m/0.25 mm/0.4 «mu»m, He, 10. K/min; Tstart: 80. C; Tend: 270. C
CapillaryRTX-11010.Cavalli, Tomi, et al., 200360. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C
CapillaryDB-51026.9Xu, van Stee, et al., 200330. m/0.25 mm/1. «mu»m, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-1011006.5Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillarySPB-51028.Verdier-Metz., Coulon, et al., 199860. m/0.32 mm/1. «mu»m, He, 40. C @ 5. min, 3. K/min, 200. C @ 2. min
CapillaryPONA1005.2Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 «mu»m, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryPONA1005.9Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 «mu»m, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryMethyl Silicone1023.Píry, Príbela, et al., 199525. m/0.2 mm/0.3 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-51026.Gómez, Ledbetter, et al., 1993He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C
CapillaryUltra-11004.Olson, Sinkevitch, et al., 19924. K/min; Tstart: -40. C; Tend: 230. C
CapillaryPetrocol DH1007.4White, Douglas, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1007.84White, Douglas, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1008.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryDB-51023.Le Quere and Latrasse, 199060. m/0.32 mm/1. «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryUltra-11003.40Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-11006.35Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-11008.12Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21019.92Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21023.11Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21025.18Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryOV-1011007.Hayes and Pitzer, 1981108. m/0.25 mm/0.2 «mu»m, 1. K/min; Tstart: 35. C; Tend: 200. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-51037.Özel, Gögüs, et al., 2006Program: not specified
CapillaryHP-51010.García, Alvarez, et al., 200250. m/0.2 mm/0.33 «mu»m, He; Program: 50C(2min) => 5C/min => 150C => 10C/min => 250C(30min)

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1263.Osorio, Alarcon, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
CapillarySupelcowax-101276.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillarySupelcowax-101279.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryRTX-Wax1258.Cavalli, Tomi, et al., 200360. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C
CapillaryCarbowax 20M1267.Píry, Príbela, et al., 199550. m/0.2 mm/0.2 «mu»m, He, 30. C @ 2. min, 4. K/min, 170. C @ 20. min
CapillaryDB-Wax1267.Le Quere and Latrasse, 199030. m/0.32 mm/0.5 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 220. C

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySupelcowax-101264.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone120.1012.Chen and Feng, 2006 
CapillaryMethyl Silicone120.1024.Chen and Feng, 2006 
CapillarySqualane95.41000.Sojak and Vigdergauz, 1978H2
CapillarySqualane110.1005.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane130.1010.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB1007.Bramston-Cook, 201360. m/0.25 mm/1.0 «mu»m, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryPetrocol DH1010.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryDB-51026.Cao, Li, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 5. min, 3. K/min, 250. C @ 20. min
CapillaryVF-5 MS1020.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS1022.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillarySE-541021.Dayisoylu and Alma, 200930. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 5. min, 2. K/min, 260. C @ 999. min
CapillaryDB-5 MS1035.Patil, Jayaprakasha, et al., 200960. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 12. min, 2. K/min, 330. C @ 30. min
CapillaryCP Sil 5 CB1013.Ayoub, Al-Azizi, et al., 2006He, 10. K/min; Column length: 25. m; Tstart: 80. C; Tend: 270. C
CapillaryHP-5MS1031.Kim, Abd El-Aty, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 4. min, 5. K/min, 280. C @ 10. min
CapillaryHP-5MS1022.Romanenko and Tkachev, 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 2. min, 10. K/min; Tend: 280. C
CapillarySE-301008.Kambouche and El-Abed, 200312. m/0.22 mm/0.3 «mu»m, He, 3. K/min; Tstart: 70. C; Tend: 220. C
CapillarySPB-51029.Kim and Lee, 200260. m/0.25 mm/0.25 «mu»m, He, 50. C @ 3. min, 5. K/min, 240. C @ 10. min
CapillaryDB-51021.Meynier, Novelli, et al., 199930. m/0.32 mm/1. «mu»m, 40. C @ 5. min, 3. K/min; Tend: 200. C
CapillaryOV-11008.Orav, Kailas, et al., 19992. K/min; Tstart: 50. C; Tend: 160. C
CapillaryOV-1011003.Orav, Kailas, et al., 1999, 250. m/0.20 mm/0.50 «mu»m, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillarySPB-51026.Viallon C., Verdier-Metz I., et al., 199960. m/0.32 mm/1. «mu»m, He, 40. C @ 5. min, 3. K/min, 200. C @ 2. min
CapillarySPB-51022.Doneanu and Anitescu, 199850. m/0.32 mm/0.25 «mu»m, He, 3. K/min, 240. C @ 20. min; Tstart: 60. C
CapillaryOV-1011012.Tamura, Nakamoto, et al., 1995N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011016.Tamura, Nakamoto, et al., 1995N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryHP-51027.1Wang and Fingas, 199530. m/0.25 mm/0.25 «mu»m, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min
CapillaryDB-11025.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 «mu»m, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
CapillaryCP Sil 5 CB1006.Hartgers, Damste, et al., 199225. m/0.32 mm/0.45 «mu»m, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min
CapillarySE-541021.Kollmannsberger, Nitz, et al., 199230. m/0.25 mm/0.25 «mu»m, Hydrogen, 60. C @ 5. min, 2. K/min, 250. C @ 2. min
CapillaryOV-1011006.Zenkevich and Ventura, 1991Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-1011012.Sugisawa, Nakamura, et al., 1990Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C
CapillaryOV-1011015.Sugisawa, Nakamura, et al., 1990Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-51026.Cao, Li, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
Capillary 1037.Karimi, Farmany, et al., 2011Program: not specified
CapillaryNonpolar1030.Staples and Zeiger, 2008Program: not specified
CapillaryDB-5 MS1025.Liu, Xu, et al., 200760. m/0.32 mm/1.0 «mu»m, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
CapillaryCP-Sil5 CB MS1010.Iraqi, Vermeulen, et al., 200550. m/0.32 mm/1.2 «mu»m; Program: 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)
CapillarySE-301013.Vinogradov, 2004Program: not specified
CapillaryCP Sil 8 CB1026.Mockute and Judzentiene, 2002He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C(2min)
CapillaryHP-5MS1023.Ansorena, Gimeno, et al., 200130. m/0.25 mm/0.25 «mu»m, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
CapillaryMethyl Silicone1010.Spieksma, 1999Program: not specified
CapillaryDB-11007.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 «mu»m; Program: not specified
CapillaryOV-1011010.Dimov, Osman, et al., 1994Program: not specified
CapillarySqualane1002.8Dimov and Mekenyan, 1989Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-40M100.1277.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M100.1279.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M120.1290.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M140.1302.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M160.1313.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M80.1269.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryCarbowax 20M90.1244.Sutter, Peterson, et al., 1997 

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1250.Beck, Higbee, et al., 200860. m/0.32 mm/0.25 «mu»m, Helium, 30. C @ 4. min, 2. K/min, 200. C @ 30. min
CapillaryDB-Wax1261.Beck, Higbee, et al., 200860. m/0.32 mm/0.25 «mu»m, Helium, 30. C @ 4. min, 2. K/min, 200. C @ 30. min
CapillaryDB-Wax1269.Njoroge, Koaze, et al., 200560. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryInnowax1278.Kaya, Baser, et al., 199960. m/0.25 mm/0.25 «mu»m, He, 60. C @ 10. min; Tend: 220. C
CapillaryCarbowax 20M1271.Kollmannsberger, Nitz, et al., 199245. m/0.32 mm/1.0 «mu»m, Hydrogen, 60. C @ 5. min, 2. K/min; Tend: 200. C
CapillaryCarbowax 20M1232.Herain, MRAVEC, et al., 199170. C @ 21. min, 5. K/min, 150. C @ 999. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelco CO Wax-101282.Prompona, Kandylis, et al., 201260. m/0.32 mm/0.25 «mu»m, Helium; Program: 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min)
CapillaryInnowax FSC1278.Baser, Demirci, et al., 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C
CapillaryHP Innowax FSP1278.Wedge, Klun, et al., 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min)
CapillaryBP-201261.Pontes, Marques, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C
CapillaryCarbowax 20M1271.Vinogradov, 2004Program: not specified
CapillaryInnowax FSC1278.Baser, Demirci, et al., 200360. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillarySupelcowax-101275.Kim and Lee, 200260. m/0.25 mm/0.25 «mu»m, He; Program: 40C (7min) => 4C/min => 150C => 8C/min => 240C (10min)
CapillaryCarbowax 20M1247.Ivanciuc, Ivanciuc, et al., 2001Program: not specified
CapillaryInnowax FSC1278.Kirimer, Tabanca, et al., 199960. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C
CapillaryNB-3511259.Kerrola and Kallio, 199325. m/0.32 mm/0.2 «mu»m; Program: 40C(5min) => 4C/min => 150C => 8C/min => 240C(12min)
CapillaryCarbowax 20M1248.Dimov and Mekenyan, 1989Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Good, 1973
Good, W.D., The enthalpies of combustion and formation of n-butylbenzene, the diethylbenzenes, the methyl-n-propylbenzenes, and the methyl-iso-propylbenzenes, J. Chem. Thermodyn., 1973, 5, 707-714. [all data]

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Tóth, 1983
Tóth, T., Use of capillary gas chromatography in collecting retention and chemical information for the analysis of complex petrochemical mixtures, J. Chromatogr., 1983, 279, 157-165, https://doi.org/10.1016/S0021-9673(01)93614-3 . [all data]

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Engewald and Wennrich, 1976
Engewald, W.; Wennrich, L., Molekülstruktur und Retentionsverhalten. VIII. Zum Retentionsverhalten höherer Alkylbenzole bei der Gas-Verteilungs-Chromatographie, Chromatographia, 1976, 9, 11, 540-547, https://doi.org/10.1007/BF02275960 . [all data]

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Svob and Deur-Siftar, 1974
Svob, V.; Deur-Siftar, D., Kovats Retention Indices in the Identification of Alkylbenzene Degradation Products, J. Chromatogr., 1974, 91, 677-689, https://doi.org/10.1016/S0021-9673(01)97947-6 . [all data]

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Jain, N.; Srivastava, S.K.; Aggarwal, K.K.; Ramesh, S.; Kumar, S., Essential oil composition of Zanthoxylum alatum seeds from northern India, Flavour Fragr. J., 2001, 16, 6, 408-410, https://doi.org/10.1002/ffj.1024 . [all data]

Wang, Fingas, et al., 1994
Wang, Z.; Fingas, M.; Li, K., Fractionation of a light crude oil and identification and quantitation of aliphatic, aromatic, and biomarker comopunds by GC-FID and GC-MS, Part II, J. Chromatogr. Sci., 1994, 32, 9, 367-382, https://doi.org/10.1093/chromsci/32.9.367 . [all data]

Hayes and Pitzer, 1982
Hayes, P.C., Jr.; Pitzer, E.W., Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices, J. Chromatogr., 1982, 253, 179-198, https://doi.org/10.1016/S0021-9673(01)88376-X . [all data]

Louis, 1971
Louis, R., Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen, Erdoel Kohle Erdgas Petrochem., 1971, 24, 2, 88-94. [all data]

Raina, Srivastava, et al., 2003
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Syamasunder, K.V.; Khanuja, S.P.S., Essential oil composition of Cymbopogon martinii from different places in India, Flavour Fragr. J., 2003, 18, 4, 312-315, https://doi.org/10.1002/ffj.1222 . [all data]

Papazova and Pankova, 1975
Papazova, D.I.; Pankova, M.C., Identification of individual aromatic hydrocarbons in kerosene fraction (b.p. 150-250 °), J. Chromatogr., 1975, 105, 2, 411-414, https://doi.org/10.1016/S0021-9673(01)82276-7 . [all data]

Döring, Estel, et al., 1974
Döring, C.E.; Estel, D.; Fischer, R., Kapillar-gaschromatographische Charakterisierung von C10-bis C12-Aromaten, J. Prakt. Chem., 1974, 316, 1, 1-12, https://doi.org/10.1002/prac.19743160102 . [all data]

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Engel and Ratel, 2007
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Kallio, Jussila, et al., 2006
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Zhao J.Y., Liu J.M., et al., 2006
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Le Quere and Latrasse, 1990
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Hayes and Pitzer, 1981
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Sojak and Vigdergauz, 1978
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Bramston-Cook, 2013
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Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

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Cao, H.; Li, Z.; Chen, X., QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression, Chin. J. Chem., 2011, 29, 10, 2187-2196, https://doi.org/10.1002/cjoc.201180379 . [all data]

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Notes

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